Geometry & MOs

Info

ID:	162137
PubChem CID:	57393742
Reduced:	SN2O5C15H22 (1)
Stoich.:	AB2C5D15E22 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	-139.38
Dipole, Da:	8.83
IP(EA), eV:	-9.29(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-[4-[[acetyl(methyl)amino]methyl]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)[C@H]1C[C@H](NC2=C1C=C(C=C2)[N+](=O)[O-])C(C)(C)CO

DOS

IR

Vibrations